Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinecarbothioamide

Catalog ID
STK460062
SMILES COc1nn(cc1[N+](=O)[O-])C(C(=O)NNC(=S)Nc1ccc2c(c1)OCO2)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C15H16N6O6S MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N6O6S/c1-8(20-6-10(21(23)24)14(19-20)25-2)13(22)17-18-15(28)16-9-3-4-11-12(5-9)27-7-26-11/h3-6,8H,7H2,1-2H3,(H,17,22)(H2,16,18,28)
InChIKey
KYXANTCCQIIMKZ-UHFFFAOYSA-N
Synonyms

1(13benzodioxol5yl)3(2(3methoxy4nitropyrazol1yl)propanoylamino)thiourea
CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)OCO2)N3C=C(C(=N3)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))C(C(=O)NNC(=S)Nc1ccc2c(c1)OCO2)C
InChI=1SC15H16N6O6Sc18(20610(21(23)24)14(1920)252)13(22)171815(28)169341112(59)2772611h368H7H212H3(H1722)(H2161828)
MFCD04300861
N(((2HBENZO(D)13DIOXOLAN5YLAMINO)THIOXOMETHYL)AMINO)2(3METHOXY4NITROPYRAZOLYL)PROPANAMIDE
N(13benzodioxol5yl)2(2(3methoxy4nitro1Hpyrazol1yl)propanoyl)hydrazinecarbothioamide
ZINC000017087871
ZINC000017087872

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Available files

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